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4-Methoxy-3-nitrophenylboronic acid, pinacol ester is a chemical compound utilized in organic synthesis, characterized by a boron atom attached to a phenyl ring, a methoxy group, and a nitro group. The pinacol ester component features a pinacol group, which consists of two tertiary butyl groups connected to a central carbon atom. 4-Methoxy-3-nitrophenylboronic acid, pinacol ester serves as a versatile reagent in the synthesis of complex organic molecules.

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  • 554411-20-0 Structure
  • Basic information

    1. Product Name: 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER
    2. Synonyms: 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER;2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
    3. CAS NO:554411-20-0
    4. Molecular Formula: C13H18BNO5
    5. Molecular Weight: 279.1
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 554411-20-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 393.7 °C at 760 mmHg
    3. Flash Point: 191.9 °C
    4. Appearance: /
    5. Density: 1.16 g/cm3
    6. Vapor Pressure: 4.75E-06mmHg at 25°C
    7. Refractive Index: 1.513
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER(554411-20-0)
    12. EPA Substance Registry System: 4-METHOXY-3-NITROPHENYLBORONIC ACID, PINACOL ESTER(554411-20-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 554411-20-0(Hazardous Substances Data)

554411-20-0 Usage

Uses

Used in Organic Synthesis:
4-Methoxy-3-nitrophenylboronic acid, pinacol ester is used as a reagent for Suzuki-Miyaura cross-coupling reactions, which are pivotal in organic chemistry for creating carbon-carbon bonds. This application is crucial for the formation of various complex organic molecules, making it an indispensable tool for chemists in the field.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Methoxy-3-nitrophenylboronic acid, pinacol ester is employed as a key intermediate in the synthesis of pharmaceutical compounds. Its unique structure allows for the creation of diverse molecular frameworks, contributing to the development of new drugs with potential therapeutic applications.
Used in Material Science:
4-Methoxy-3-nitrophenylboronic acid, pinacol ester is utilized in material science for the synthesis of advanced materials with specific properties. Its ability to form carbon-carbon bonds through Suzuki-Miyaura cross-coupling reactions enables the creation of materials with tailored characteristics for various applications, such as electronics, sensors, and energy storage devices.
Used in Research and Development:
In research and development, 4-Methoxy-3-nitrophenylboronic acid, pinacol ester is employed as a valuable tool for exploring new chemical reactions and mechanisms. Its unique structure and reactivity provide insights into the fundamental aspects of organic chemistry, paving the way for the discovery of novel synthetic methods and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 554411-20-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,5,4,4,1 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 554411-20:
(8*5)+(7*5)+(6*4)+(5*4)+(4*1)+(3*1)+(2*2)+(1*0)=130
130 % 10 = 0
So 554411-20-0 is a valid CAS Registry Number.
InChI:InChI=1/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)9-6-7-11(18-5)10(8-9)15(16)17/h6-8H,1-5H3

554411-20-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1.2 Other means of identification

Product number -
Other names 4-Methoxy-3-nitrophenylboronic acid,pinacol ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:554411-20-0 SDS

554411-20-0Relevant articles and documents

Polycyclic compound, polymer, mixture, composition, and organic electronic device

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Paragraph 0202-0203; 0206; 0284-0286, (2021/06/26)

The invention relates to a polycyclic compound, a polymer containing the same, a mixture, a composition and an organic electronic device. The polycyclic compound provided by the invention contains a plurality of different ring systems which are connected

ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE

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Page/Page column 100; 101, (2021/06/04)

The application is directed to compounds of formulae (IA) and (IB): (IA) and (IB), and their salts and solvates, wherein R1a, R2a, A1, A2, A3, A4, R1b, R2b, B1, B2, B3, and G are as set forth in the specification, as well as to methods for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of, e.g., lysosomal storage diseases, such as Krabbe's disease, and α-synucleinopathies, such as Parkinson's disease.

TOLL-LIKE RECEPTOR 8 (TLR8)-SPECIFIC ANTAGONISTS AND METHODS OF MAKING AND USES THEREOF

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Page/Page column 49-50; 60, (2019/05/22)

Toll-like receptor 8 (TLR8)-specific inhibitors and methods of using the same in individuals having an autoimmune disease or an inflammatory disorder.

Carbamic acid esters of benzothiazoles

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Page 9, (2010/02/09)

The present invention relates to a compound of formula I wherein R, X and n are defined hereinabove, and to a pharmaceutically acceptable salt thereof. The compound may be used for the treatment of diseases related to the A2A receptor.

Benzothiazole derivatives

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Page 18, (2010/02/09)

This invention relates to compounds of formula I wherein R1 and R2 are defined herein, or a pharmaceutically acceptable salt thereof. It has been found that the compounds of formula I are adenosine receptor ligands with good affinity to the A2A-receptor and a high selectivity to the A1- and A3 receptors. These compounds are useful, inter alia, in treatment of Alzheimer's disease, depression, Parkinson's disease and ADHD.

Benzothiazoles

-

, (2008/06/13)

The present invention relates to compounds of the formula wherein R1 and R2 are as described within. The compounds of formula I have been found to be adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A2A-receptor and they may be used in the treatment of diseases, related to this receptor.

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